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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010988

(3R,4R,5R)-5-[(2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid

Formula: C25H22O12  |  Mol. Weight: 514.40 g/mol

IUPAC: (3R,4R,5R)-5-[(2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid

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Overview

Molecular Formula C25H22O12
Molecular Weight 514.40 g/mol
Canonical SMILES C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2C(OC3=C(C=CC(=C23)C=CC(=O)O)O)C4=CC(=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy